REMARK  Name = BDB005996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.537   1.160   0.887  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -4.252   0.627   0.930  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -3.139   0.627  -0.039  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -2.097  -0.114   0.505  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -2.371  -0.510   1.871  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -3.136   1.202  -1.111  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.774  -0.046   2.070  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -4.562  -0.206   3.198  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -5.844   0.322   3.167  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -6.632   0.186   4.241  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -6.331   0.993   2.041  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -0.755  -0.127  -0.087  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1        0.069   1.084   0.357  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        1.403   1.139  -0.397  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1        1.924  -0.186  -0.775  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        1.543  -1.218   0.184  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.024  -1.430   0.160  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.348  -0.138  -1.144  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        3.662  -1.238  -2.186  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        5.158  -1.524  -2.350  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1        6.022  -0.373  -1.877  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1        5.762   0.718  -2.644  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1        7.332  -0.668  -2.067  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1        5.790  -0.023  -0.414  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1        4.335  -0.207   0.033  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  29
ATOM     26  N   LIG    1       -5.580   1.936  -1.459  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -6.010   2.516  -2.166  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -4.607   1.674  -1.617  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -6.183   1.885  -0.242  0.00  0.00    +0.242 C 
ATOM     30  O   LIG    1       -7.272   2.430  -0.088  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 3